7-(ethoxymethyl)-3-methyl-8-methylsulfanyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-methyl-8-methylsulfanyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-8-(methylthio)xanthine Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(N=C1SC)N(C(=O)N(C2=O)CCCCC(C)O)C

Isomeric SMILES

CCOCN1C2=C(N=C1SC)N(C(=O)N(C2=O)CCCCC(C)O)C

InChI

InChI=1S/C16H26N4O4S/c1-5-24-10-20-12-13(17-15(20)25-4)18(3)16(23)19(14(12)22)9-7-6-8-11(2)21/h11,21H,5-10H2,1-4H3